[gmx-users] PBC in g_gyrate

[singh]

Dear Gromacs users,

I simulated 6 peptides in a cubical box. I want to calculate radius of
gyration for all the peptides together (in order to get a rough idea whether
they are coming together or not). But I am not sure whether g_gyrate takes
into account Periodic boundary conditions while calculating radius of
gyration for such a system.

 

Regards,

Gurpreet Singh

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